2-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 1-(3-nitrophenyl)-2-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 2-[[4-(4-methylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 1-(3-nitrophenyl)-2-[[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethanone Formula: C20H14F3N3O3S MolecularWeight: 433.40367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H14F3N3O3S/c1-12-5-7-13(8-6-12)16-10-18(20(21,22)23)25-19(24-16)30-11-17(27)14-3-2-4-15(9-14)26(28)29/h2-10H,11H2,1H3